(2R)-1-(6,7-dichloroquinoxalin-2-yl)pyrrolidine-2-carboxylic acid

C13H11Cl2N3O2 — CID 122051740

IUPAC(2R)-1-(6,7-dichloroquinoxalin-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1cnc2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C13H11Cl2N3O2/c14-7-4-9-10(5-8(7)15)17-12(6-16-9)18-3-1-2-11(18)13(19)20/h4-6,11H,1-3H2,(H,19,20)/t11-/m1/s1
InChIKeyWQMVRDTXRJJSTI-LLVKDONJSA-N
MW312.16 g/mol
LogP2.99
Rot. Bonds2

About (2R)-1-(6,7-dichloroquinoxalin-2-yl)pyrrolidine-2-carboxylic acid

(2R)-1-(6,7-dichloroquinoxalin-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 122051740) has the molecular formula C13H11Cl2N3O2 and a molecular weight of 312.16 g/mol. Its IUPAC name is (2R)-1-(6,7-dichloroquinoxalin-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(6,7-dichloroquinoxalin-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID122051740
Molecular FormulaC13H11Cl2N3O2
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name(2R)-1-(6,7-dichloroquinoxalin-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1cnc2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C13H11Cl2N3O2/c14-7-4-9-10(5-8(7)15)17-12(6-16-9)18-3-1-2-11(18)13(19)20/h4-6,11H,1-3H2,(H,19,20)/t11-/m1/s1
InChIKeyWQMVRDTXRJJSTI-LLVKDONJSA-N
XLogP2.99
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6,7-dichloroquinoxalin-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(6,7-dichloroquinoxalin-2-yl)pyrrolidine-2-carboxylic acid (CID 122051740) is (2R)-1-(6,7-dichloroquinoxalin-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(6,7-dichloroquinoxalin-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(6,7-dichloroquinoxalin-2-yl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1c1cnc2cc(Cl)c(Cl)cc2n1.
What is the InChIKey of (2R)-1-(6,7-dichloroquinoxalin-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is WQMVRDTXRJJSTI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2/c14-7-4-9-10(5-8(7)15)17-12(6-16-9)18-3-1-2-11(18)13(19)20/h4-6,11H,1-3H2,(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-1-(6,7-dichloroquinoxalin-2-yl)pyrrolidine-2-carboxylic acid?
(2R)-1-(6,7-dichloroquinoxalin-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 312.16 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6,7-dichloroquinoxalin-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122051740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).